2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium

C5H9O2PS — CID 20532262

IUPAC2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium
SMILESC=C(C[P+](=O)[O-])SCC
InChIInChI=1S/C5H9O2PS/c1-3-9-5(2)4-8(6)7/h2-4H2,1H3
InChIKeyIMBHYNFCDPMTEX-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.36
Rot. Bonds4

About 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium

2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium (PubChem CID 20532262) has the molecular formula C5H9O2PS and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium.

Molecular Properties

Compound Name2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium
PubChem CID20532262
Molecular FormulaC5H9O2PS
Molecular Weight164.17 g/mol
Exact Mass164.01
IUPAC Name2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium
SMILESC=C(C[P+](=O)[O-])SCC
InChIInChI=1S/C5H9O2PS/c1-3-9-5(2)4-8(6)7/h2-4H2,1H3
InChIKeyIMBHYNFCDPMTEX-UHFFFAOYSA-N
XLogP1.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 12591357
CID 12591357
1-ethylsulfanylethenolate
CID 101161982
sodium 2-methoxyprop-2-enyl-oxido-oxophosphanium
CID 86738483
2-ethylsulfanyl-4-methylsulfanylbut-1-ene
CID 154181892
aluminum tris(ethyl-oxido-oxophosphanium)
CID 157497203
dilithium bis(ethylsulfanyl-oxido-oxophosphanium)
CID 57351004
ethylaluminum(2+);phosphenic acid
CID 158590735
methyl 2-ethylsulfanylprop-2-enoate
CID 14912192
methyl 2-ethylsulfanyl-N-methylprop-2-enimidothioate
CID 4059466
S-ethyl carbamothioate
CID 12673087
S-ethyl 2-hydroxyethanethioate
CID 57098490
hydroxy-(2-methylprop-2-enyl)-oxophosphanium
CID 88606339

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium?
The IUPAC name of 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium (CID 20532262) is 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium.
What is the SMILES notation for 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium?
The canonical SMILES for 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium is C=C(C[P+](=O)[O-])SCC.
What is the InChIKey of 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium?
The InChIKey is IMBHYNFCDPMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2PS/c1-3-9-5(2)4-8(6)7/h2-4H2,1H3.
What are the key properties of 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium?
2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium has a molecular weight of 164.17 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylprop-2-enyl-oxido-oxophosphanium is sourced from PubChem (CID 20532262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).